(3R,4S)-3-(benzenesulfonyl)-4-morpholin-4-ylthiolane 1,1-dioxide

C14H19NO5S2 — CID 20897737

IUPAC(3R,4S)-3-(benzenesulfonyl)-4-morpholin-4-ylthiolane 1,1-dioxide
SMILESO=S1(=O)C[C@H](N2CCOCC2)[C@@H](S(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C14H19NO5S2/c16-21(17)10-13(15-6-8-20-9-7-15)14(11-21)22(18,19)12-4-2-1-3-5-12/h1-5,13-14H,6-11H2/t13-,14-/m0/s1
InChIKeyTWINKIIGKIGRBZ-KBPBESRZSA-N
MW345.44 g/mol
LogP-0.04
Rot. Bonds3

About (3R,4S)-3-(benzenesulfonyl)-4-morpholin-4-ylthiolane 1,1-dioxide

(3R,4S)-3-(benzenesulfonyl)-4-morpholin-4-ylthiolane 1,1-dioxide (PubChem CID 20897737) has the molecular formula C14H19NO5S2 and a molecular weight of 345.44 g/mol. Its IUPAC name is (3R,4S)-3-(benzenesulfonyl)-4-morpholin-4-ylthiolane 1,1-dioxide.

Molecular Properties

Compound Name(3R,4S)-3-(benzenesulfonyl)-4-morpholin-4-ylthiolane 1,1-dioxide
PubChem CID20897737
Molecular FormulaC14H19NO5S2
Molecular Weight345.44 g/mol
Exact Mass345.07
IUPAC Name(3R,4S)-3-(benzenesulfonyl)-4-morpholin-4-ylthiolane 1,1-dioxide
SMILESO=S1(=O)C[C@H](N2CCOCC2)[C@@H](S(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C14H19NO5S2/c16-21(17)10-13(15-6-8-20-9-7-15)14(11-21)22(18,19)12-4-2-1-3-5-12/h1-5,13-14H,6-11H2/t13-,14-/m0/s1
InChIKeyTWINKIIGKIGRBZ-KBPBESRZSA-N
XLogP-0.04
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 5-0.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-Fluorophenyl)sulfonyl-1-morpholin-4-ylpropan-1-one
CID 588543
4-[2-(Benzenesulfonyl)ethyl]morpholine
CID 2818767
4-[4-(Phenylthio)butyl]morpholine hydrochloride
CID 2993739
3-(4-Morpholinyl)-3-oxopropyl phenyl sulfone
CID 772989
4-{2-[2-(Phenylthio)ethoxy]ethyl}morpholine hydrochloride
CID 2993677
1-(2,6-Dimethylmorpholin-4-yl)-3-(phenylsulfonyl)propan-1-one
CID 3163454
4-(2-((4-Fluorophenyl)sulfonyl)ethyl)morpholine
CID 214242
4-[2-(Phenylsulfanyl)ethyl]morpholine
CID 739875
4-[3-(Benzenesulfonyl)-2-morpholin-4-ylpropyl]morpholine
CID 2929026
Sulfone, 4-fluorophenyl 2-morpholinoethyl, hydrochloride
CID 214241
3-((3-(Morpholinosulfonyl)phenyl)sulfonyl)tetrahydrothiophene 1,1-dioxide
CID 42654967
4-[3-(Benzenesulfonyl)propyl]-1-(2-methoxyethyl)-2-methylpiperazine
CID 53624146

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-(benzenesulfonyl)-4-morpholin-4-ylthiolane 1,1-dioxide?
The IUPAC name of (3R,4S)-3-(benzenesulfonyl)-4-morpholin-4-ylthiolane 1,1-dioxide (CID 20897737) is (3R,4S)-3-(benzenesulfonyl)-4-morpholin-4-ylthiolane 1,1-dioxide.
What is the SMILES notation for (3R,4S)-3-(benzenesulfonyl)-4-morpholin-4-ylthiolane 1,1-dioxide?
The canonical SMILES for (3R,4S)-3-(benzenesulfonyl)-4-morpholin-4-ylthiolane 1,1-dioxide is O=S1(=O)C[C@H](N2CCOCC2)[C@@H](S(=O)(=O)c2ccccc2)C1.
What is the InChIKey of (3R,4S)-3-(benzenesulfonyl)-4-morpholin-4-ylthiolane 1,1-dioxide?
The InChIKey is TWINKIIGKIGRBZ-KBPBESRZSA-N. The full InChI is InChI=1S/C14H19NO5S2/c16-21(17)10-13(15-6-8-20-9-7-15)14(11-21)22(18,19)12-4-2-1-3-5-12/h1-5,13-14H,6-11H2/t13-,14-/m0/s1.
What are the key properties of (3R,4S)-3-(benzenesulfonyl)-4-morpholin-4-ylthiolane 1,1-dioxide?
(3R,4S)-3-(benzenesulfonyl)-4-morpholin-4-ylthiolane 1,1-dioxide has a molecular weight of 345.44 g/mol, XLogP of -0.04, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-(benzenesulfonyl)-4-morpholin-4-ylthiolane 1,1-dioxide is sourced from PubChem (CID 20897737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).